Monomers

Fumaric acid, di(2-methoxyethyl) ester

Identifiers

IUPAC name
bis(2-methoxyethyl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3+
InchI Key
INJVHPRSHKTTBD-ONEGZZNKSA-N
SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Canonical SMILES
COCCOC(=O)C=CC(=O)OCCOC
Isomeric SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O6
Heavy Atom Count
16
Molecular Weight
232.232
Exact Molecular Weight
232.0947
Valence Electrons
92
Radical Electrons
0
tPSA
71.06
MolLogP
-0.0782
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 32 31  0  0  0  0  0  0  0  0999 V2000
    6.0588    0.7024   -1.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6675    1.6538   -0.3993 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3978    1.3904    0.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2496    0.0894    0.7895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443   -0.1397    1.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8778   -0.2364    0.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0146   -0.1278   -0.8067 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460   -0.4696    0.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5016   -0.5656    0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8262   -0.7989    0.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0403   -0.9180    1.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8997   -0.8944   -0.1424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319   -1.1225    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1147   -1.1639   -0.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0642    0.0137   -1.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4742    1.1097   -0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927   -0.2861   -0.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    0.8682   -1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071    0.5902   -2.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0248    2.1860    0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    1.3418   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153    0.0386    1.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   -0.8127    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4137   -0.5645    2.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3552   -0.4683   -0.8951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2151   -2.0845    0.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4744   -0.2957    1.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1307   -1.5048   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741   -1.9584   -1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5333    1.0268   -0.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    1.9991   -1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7890    1.4015   -0.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  8 24  1  0
  9 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 16 30  1  0
 16 31  1  0
 16 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers